CM2461-0166 Screening compound: 4-{[1-(5-methyl-1,2,4-oxadiazol-3-yl)-6-azaspiro[2.5]oct-6-yl]methyl}phenyl propyl ether

CM2461-0166 Screening compound: 4-{[1-(5-methyl-1,2,4-oxadiazol-3-yl)-6-azaspiro[2.5]oct-6-yl]methyl}phenyl propyl ether
CM2461-0166 Screening compound: 4-{[1-(5-methyl-1,2,4-oxadiazol-3-yl)-6-azaspiro[2.5]oct-6-yl]methyl}phenyl propyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound CM2461-0166
4-{[1-(5-methyl-1,2,4-oxadiazol-3-yl)-6-azaspiro[2.5]oct-6-yl]methyl}phenyl propyl ether

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

CM2461-0166

Molecular Formula

C20H27N3O2 (C20 H27 N3 O2)

Compound Name

4-{[1-(5-methyl-1,2,4-oxadiazol-3-yl)-6-azaspiro[2.5]oct-6-yl]methyl}phenyl propyl ether

IUPAC name

1-(5-methyl-124-oxadiazol-3-yl)-6-[(4-propoxyphenyl)methyl]-6-azaspiro[2.5]octane

SMILES

CCCOc1ccc(CN(CC2)CCC2(C2)C2c2noc(C)n2)cc1

InChI

InChI=1S/C20H27N3O2/c1-3-12-24-17-6-4-16(5-7-17)14-23-10-8-20(9-11-23)13-18(20)19-21-15(2)25-22-19/h4-7,18H,3,8-14H2,1-2H3/t18-/m1/s1

InChI Key

JMZDKOWJNAVEBC-GOSISDBHSA-N

MDL Number (MFCD)

MFCD30465056

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.632

Distribution Coefficient, logD

3.385

Water Solubility, LogSw

-3.47

Polar Surface Area

42.546

Acid Dissociation Constant (pKa)

26.07

Base Dissociation Constant (pKb)

7.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

CM2461-0166 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with CM2461-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM2461-0166?
Check Price and Availability of CM2461-0166, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of CM2461-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM2461-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM2461-0166
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of CM2461-0166 available by request